(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone

C17H18ClN5O — CID 68799235

About (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone (PubChem CID 68799235) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone.

Molecular Properties

• Compound Name: (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone
• PubChem CID: 68799235
• Molecular Formula: C17H18ClN5O
• Molecular Weight: 343.82 g/mol
• Exact Mass: 343.12
• IUPAC Name: (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone
• SMILES: Cc1[nH]c2c(c1C)N(C)N(C(=O)c1cc3ccc(Cl)cn3n1)CC2
• InChI: InChI=1S/C17H18ClN5O/c1-10-11(2)19-14-6-7-23(21(3)16(10)14)17(24)15-8-13-5-4-12(18)9-22(13)20-15/h4-5,8-9,19H,6-7H2,1-3H3
• InChIKey: HOBUBJJBKFUCGY-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 56.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.82
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone?

The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone (CID 68799235) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone.

What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone?

The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone is Cc1[nH]c2c(c1C)N(C)N(C(=O)c1cc3ccc(Cl)cn3n1)CC2.

What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone?

The InChIKey is HOBUBJJBKFUCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-10-11(2)19-14-6-7-23(21(3)16(10)14)17(24)15-8-13-5-4-12(18)9-22(13)20-15/h4-5,8-9,19H,6-7H2,1-3H3.

What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone?

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone has a molecular weight of 343.82 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,6,7-trimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone is sourced from PubChem (CID 68799235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).